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Journal Abstract Search

436 related items for PubMed ID: 22000935

  • 1. Discovery of novel anti-inflammatory drug-like compounds by aligning in silico and in vivo screening: the nitroindazolinone chemotype.
    Marrero-Ponce Y, Siverio-Mota D, Gálvez-Llompart M, Recio MC, Giner RM, García-Domènech R, Torrens F, Arán VJ, Cordero-Maldonado ML, Esguera CV, de Witte PA, Crawford AD.
    Eur J Med Chem; 2011 Dec; 46(12):5736-53. PubMed ID: 22000935
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  • 3. Antiprotozoan lead discovery by aligning dry and wet screening: prediction, synthesis, and biological assay of novel quinoxalinones.
    Martins Alho MA, Marrero-Ponce Y, Barigye SJ, Meneses-Marcel A, Machado Tugores Y, Montero-Torres A, Gómez-Barrio A, Nogal JJ, García-Sánchez RN, Vega MC, Rolón M, Martínez-Fernández AR, Escario JA, Pérez-Giménez F, Garcia-Domenech R, Rivera N, Mondragón R, Mondragón M, Ibarra-Velarde F, Lopez-Arencibia A, Martín-Navarro C, Lorenzo-Morales J, Cabrera-Serra MG, Piñero J, Tytgat J, Chicharro R, Arán VJ.
    Bioorg Med Chem; 2014 Mar 01; 22(5):1568-85. PubMed ID: 24513185
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  • 6. Anti-Inflammatory Activity and Cheminformatics Analysis of New Poten t 2-Substituted 1-Methyl-5-Nitroindazolinones.
    Siverio-Mota D, Andujar I, Marrero-Ponce Y, Giner RM, Diaz-Mendoza C, Paba GM, Vicet-Muro L, Cordero-Maldonado ML, de Witte PAM, Crawford AD, Veitia MS, Perez-Jimenez F, Aran VJ.
    Curr Top Med Chem; 2018 Feb 09; 17(30):3236-3248. PubMed ID: 29357800
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  • 7. TOMOCOMD-CARDD descriptors-based virtual screening of tyrosinase inhibitors: evaluation of different classification model combinations using bond-based linear indices.
    Casañola-Martín GM, Marrero-Ponce Y, Khan MT, Ather A, Sultan S, Torrens F, Rotondo R.
    Bioorg Med Chem; 2007 Feb 01; 15(3):1483-503. PubMed ID: 17110117
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  • 8. Computational discovery of novel trypanosomicidal drug-like chemicals by using bond-based non-stochastic and stochastic quadratic maps and linear discriminant analysis.
    Castillo-Garit JA, Vega MC, Rolon M, Marrero-Ponce Y, Kouznetsov VV, Torres DF, Gómez-Barrio A, Bello AA, Montero A, Torrens F, Pérez-Giménez F.
    Eur J Pharm Sci; 2010 Jan 31; 39(1-3):30-6. PubMed ID: 19854271
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  • 9. 3D-chiral quadratic indices of the 'molecular pseudograph's atom adjacency matrix' and their application to central chirality codification: classification of ACE inhibitors and prediction of sigma-receptor antagonist activities.
    Ponce YM, Diaz HG, Zaldivar VR, Torrens F, Castro EA.
    Bioorg Med Chem; 2004 Oct 15; 12(20):5331-42. PubMed ID: 15388160
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  • 12. Bond-based 2D quadratic fingerprints in QSAR studies: virtual and in vitro tyrosinase inhibitory activity elucidation.
    Casañola-Martin GM, Marrero-Ponce Y, Khan MT, Khan SB, Torrens F, Pérez-Jiménez F, Rescigno A, Abad C.
    Chem Biol Drug Des; 2010 Dec 15; 76(6):538-45. PubMed ID: 20964806
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  • 14. Relative inhibitory activity of bile acids against 12-O-tetradecanoylphorbol-13-acetate-induced inflammation, and chenodeoxycholic acid inhibition of tumour promotion in mouse skin two-stage carcinogenesis.
    Yasukawa K, Iida T, Fujimoto Y.
    J Pharm Pharmacol; 2009 Aug 15; 61(8):1051-6. PubMed ID: 19703349
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  • 15. Profile-QSAR: a novel meta-QSAR method that combines activities across the kinase family to accurately predict affinity, selectivity, and cellular activity.
    Martin E, Mukherjee P, Sullivan D, Jansen J.
    J Chem Inf Model; 2011 Aug 22; 51(8):1942-56. PubMed ID: 21667971
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  • 17. A comprehensive support vector machine binary hERG classification model based on extensive but biased end point hERG data sets.
    Shen MY, Su BH, Esposito EX, Hopfinger AJ, Tseng YJ.
    Chem Res Toxicol; 2011 Jun 20; 24(6):934-49. PubMed ID: 21504223
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  • 20. Application of predictive QSAR models to database mining: identification and experimental validation of novel anticonvulsant compounds.
    Shen M, Béguin C, Golbraikh A, Stables JP, Kohn H, Tropsha A.
    J Med Chem; 2004 Apr 22; 47(9):2356-64. PubMed ID: 15084134
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